SCHEMBL6695459

SCHEMBL6695459

CCCCCCCCCCC(CCCC)C(O)C(=NO)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.41
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
NAAA Q02083 3/20 0.38
PRSS1 P07477 2/20 0.37
CTSG P08311 2/20 0.37
CTRB1 P17538 2/20 0.37
CMA1 P23946 2/20 0.37
ALDH1A1 P00352 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2279350 1.00 CSNK1E (0.41) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL6689638 0.98 CSNK1E (0.39) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL207033 0.95 PTGS2 (0.38) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL4218253 0.93 PTGS2 (0.36) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL6738225 0.91 MMP2 (0.40) CES2CES1NAAAPRSS1CTSG
SCHEMBL9542823 0.90 ALDH1A1 (0.38) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL12485912 0.85 CSNK1E (0.41) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL12482425 0.85 CSNK1E (0.41) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL5706444 0.84 CSNK1E (0.40) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL12003884 0.83 ALDH1A1 (0.34) CSNK1ECES2CES1PRSS1CTSG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002018702-A9 METHODS FOR IMPROVING THE DYEABILITY AND PUNCTURE RESISTANCE OF FABRICS COMPRISING HIGH TENACITY FIBERS AND FABRICS PRODUCED BY SUCH METHODS WARWICK MILLS INC (US) 2004-05-06 WO claimed